6GCC
Crystal structure of glutathione transferase Xi 3 mutant C56S from Trametes versicolor in complex with dextran-sulfate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97977 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 72.256, 72.256, 317.596 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.010 - 1.900 |
R-factor | 0.162 |
Rwork | 0.160 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gca |
RMSD bond length | 0.011 |
RMSD bond angle | 1.360 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.010 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.060 | 0.250 |
Number of reflections | 65928 | 3578 |
<I/σ(I)> | 15.5 | |
Completeness [%] | 97.6 | |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 277 | 20% (w/v) polyethylene glycol 8,000, 0.1M pH 6.5 sodium cacodylate buffer and 0.2M magnesium acetate, dextran-sulfate as additive |